![1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone structure](/static/products/7012/701227-18-1.webp)
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
TL;DR: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 701227-18-1) is a chemical compound with molecular formula C26H23ClN6O3S and molecular weight 534.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C26H23ClN6O3S |
|---|---|
| Molecular Weight | 534.12 g/mol |
| LogP | 4.9368 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.1241 |
| Heavy Atoms | 37 |
| Complexity | 1422.8514 |
Chemical Identifiers
| CAS Number | 701227-18-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 701227-18-1), with molecular formula C26H23ClN6O3S and molecular weight 534.12 g/mol. IUPAC: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Property Insights of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
The XLogP value of 4.9368 indicates that 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The CAS number of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone is 701227-18-1.
What is the molecular formula of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular formula of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone is C26H23ClN6O3S.
What is the molecular weight of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular weight of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone is 534.12 g/mol.
Where can I buy 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone?
You can request a quote for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.